4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine

C9H15ClN4 — CID 135271004

IUPAC4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1Cl
InChIInChI=1S/C9H15ClN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyQGTRPZQPBFUHDP-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.23
Rot. Bonds4

About 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine

4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine (PubChem CID 135271004) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
PubChem CID135271004
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1Cl
InChIInChI=1S/C9H15ClN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyQGTRPZQPBFUHDP-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
4-chloro-N-ethyl-6-methylpyrimidin-2-amine
CID 53385563
4-Amino-5-chloro-2,6-dimethylpyrimidine
CID 593843
5-Iodo-6-methyl-n4-pentylpyrimidine-2,4-diamine
CID 68417258
5-bromo-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 130708144
4-N-butyl-5-iodo-6-methylpyrimidine-2,4-diamine
CID 134106001
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-6-methyl-5-pent-1-ynylpyrimidine-2,4-diamine
CID 135271020
2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
CID 7147190
2-chloro-6-methyl-N-propylpyrimidin-4-amine
CID 11137831
2-Pyrimidinamine, 4-chloro-6-methyl-N-propyl-
CID 11830125
2-Butylamino-4-chloro-6-methylpyrimidine
CID 19792070

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine (CID 135271004) is 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1Cl.
What is the InChIKey of 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine?
The InChIKey is QGTRPZQPBFUHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine?
4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).